{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14802 7.602072 7.263715 7.017881 6.824685 6.665513 6.530157 6.412409 6.30821 6.214763 6.130053 6.052586 5.98122 5.915065 5.85341 5.795682 5.741411 5.690206 5.641739 5.595732 5.551948 5.51018 5.470253 5.43201 5.393348 5.353507 5.312412 5.269982 5.226128 5.180749 5.133737 5.08497 5.034311 4.981607 4.926687 4.869356 4.809392 4.746543 4.680515 4.610972 4.537516 4.459681 4.376913 4.288543 4.193757 4.09155 3.980661 3.859477 3.725889 3.577064 3.409074 3.216244 2.98993 2.71601 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.148020000000001e-10 7.602072e-10 7.263715000000001e-10 7.017881e-10 6.824685e-10 6.665513e-10 6.530157000000001e-10 6.412409e-10 6.30821e-10 6.214763e-10 6.130053000000001e-10 6.052586e-10 5.98122e-10 5.915065000000001e-10 5.853410000000001e-10 5.795682e-10 5.741411000000001e-10 5.690206000000001e-10 5.641739e-10 5.595732e-10 5.551948e-10 5.51018e-10 5.470253e-10 5.432010000000001e-10 5.393348e-10 5.353506999999999e-10 5.312412e-10 5.269982e-10 5.226128e-10 5.180749e-10 5.133737e-10 5.08497e-10 5.034311e-10 4.981607000000001e-10 4.926687e-10 4.869356e-10 4.809392e-10 4.746543e-10 4.680515e-10 4.6109720000000003e-10 4.537516e-10 4.459681e-10 4.376913e-10 4.288543e-10 4.193757e-10 4.0915499999999997e-10 3.980661e-10 3.8594770000000004e-10 3.725889e-10 3.5770640000000004e-10 3.409074e-10 3.2162440000000003e-10 2.9899300000000004e-10 2.71601e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4.48135 4.52317 4.55732 4.58432 4.60465 4.61873 4.62693 4.6296 4.62674 4.61754 4.60091 4.57555 4.53994 4.49225 4.43031 4.35147 4.25257 4.12972 3.97817 3.79206 3.56408 3.2851 2.9435 2.52446 2.00879 1.37131 0.578605 -0.414531 -1.67027 -3.27596 -5.35732 -8.10044 -11.7902 -16.8805 -52.7811 -72.0128 -127.737 -197.995 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1799142587759e-19 7.24691728560978e-19 7.301631617660879e-19 7.344890386778879e-19 7.3774626377481e-19 7.40002128475482e-19 7.41315913315362e-19 7.417436944766399e-19 7.412854719593159e-19 7.398114694560359e-19 7.3714704971369395e-19 7.3308392976987e-19 7.273785787761959e-19 7.1973779840865e-19 7.09813916337654e-19 6.97182355755198e-19 6.81336828844938e-19 6.616540888962479e-19 6.373731020079779e-19 6.07554992672604e-19 5.71028569770672e-19 5.2633104603534e-19 4.716006922178999e-19 4.0446308254676397e-19 3.2184364006128593e-19 2.19708083997054e-19 9.2702741131557e-20 -6.641518822686539e-20 -2.6760675664711797e-19 -5.24866656591864e-19 -8.583372924860879e-19 -1.297833569311896e-18 -1.88899829501868e-18 -2.7045542670237002e-18 -8.45646451368174e-18 -1.1537722550891519e-17 -2.0465723669725797e-17 -3.1722296264883e-17 ] } }